SCHEMBL16019540

SCHEMBL16019540

COc1cc(C(C)C)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.47
BCL2L11 O43521 2/20 0.47
BID P55957 1/20 0.47
BAK1 Q16611 1/20 0.47
BBC3 Q9BXH1 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7227501 0.87 MEN1 (0.45) BCL2L1BCL2L11BIDBAK1BBC3
SCHEMBL14177256 0.82 POLB (0.43) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL7225962 0.81 ADORA2A (0.57) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL18368398 0.79 BCL2L1 (0.56) BCL2L1BCL2L11BIDBAK1BBC3
SCHEMBL19249762 0.79 TOP1 (0.43) BCL2L1BCL2L11BIDBAK1BBC3
SCHEMBL7998749 0.77 CYP1A2 (0.60) L3MBTL1MEN1KMT2AKDM4EHPGD
SCHEMBL30065410 0.77 HPGD (0.64) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL423891 0.77 L3MBTL1 (0.71) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL12390044 0.77 CYP1A2 (0.41) POLBLMNAKDM4EHPGDALDH1A1
SCHEMBL396614 0.77 HPGD (0.64) POLBLMNAL3MBTL1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 BCL2L1 3492/4885BCL2L11 3475/4885BID 852/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 BCL2L1 400/4885BCL2L11 253/4885BID 251/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 BCL2L1 400/4885BCL2L11 253/4885BID 251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.